UCSF

ZINC05516125

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 -6.73 -13.45 1 7 0 92 398.506 8
Hi High (pH 8-9.5) 2.75 -6.17 -47.12 0 7 -1 94 397.498 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )